5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester
TL;DR: 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester (CAS 121112-81-0) is a chemical compound with molecular formula C21H20F2N2O3S and molecular weight 418.11627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-[2-(difluoromethoxy)phenyl]-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
Also Known As: 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester, ethyl 6-[2-(difluoromethoxy)phenyl]-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate, Ethyl 4-(2-(difluoromethoxy)phenyl)-1,2,3,4-tetrahydro-6-methyl-1-phenyl-2-thioxo-5-pyrimidinecarboxylate, Ethyl 4-[2-(difluoromethoxy)phenyl]-6-methyl-1-phenyl-2-sulfanyl-1,4-dihydropyrimidine-5-carboxylate, BRN 5645181
Technical Specifications
| Molecular Formula | C21H20F2N2O3S |
| Molecular Weight | 418.11627 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.11627 Da |
| Heavy Atoms | 29 |
| Complexity | 637.0 |
| SMILES | CCOC(=O)C1=C(N(C(=S)NC1C2=CC=CC=C2OC(F)F)C3=CC=CC=C3)C |
| InChIKey | VNDCGFWBMOOJHE-UHFFFAOYSA-N |
Chemical Property Profile of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester
Property Insights of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester
The XLogP value of 4.6 indicates that 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester. Following Lipinski's Rule of Five, 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester?
The CAS number of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester is 121112-81-0.
What is the molecular formula of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester?
The molecular formula of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester is C21H20F2N2O3S.
What is the molecular weight of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester?
The molecular weight of 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester is 418.11627 g/mol.
Where can I buy 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester?
You can request a quote for 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(2-(difluoromethoxy)phenyl)-6-methyl-1-phenyl-2-thioxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.